VTK  9.1.0
vtkProteinRibbonFilter.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkProteinRibbonFilter.h
5 
6  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7  All rights reserved.
8  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9 
10  This software is distributed WITHOUT ANY WARRANTY; without even
11  the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12  PURPOSE. See the above copyright notice for more information.
13 
14 =========================================================================*/
15 
16 #ifndef vtkProteinRibbonFilter_h
17 #define vtkProteinRibbonFilter_h
18 
27 #include "vtkDomainsChemistryModule.h" // for export macro
28 #include "vtkPolyDataAlgorithm.h"
29 
30 #include "vtkColor.h" // For vtkColor3ub.
31 #include <map> // For element to color map.
32 
33 class vtkVector3f;
34 class vtkStringArray;
35 
36 class VTKDOMAINSCHEMISTRY_EXPORT vtkProteinRibbonFilter : public vtkPolyDataAlgorithm
37 {
38 public:
40  void PrintSelf(ostream& os, vtkIndent indent) override;
41 
43 
45 
48  vtkGetMacro(CoilWidth, float);
49  vtkSetMacro(CoilWidth, float);
51 
53 
56  vtkGetMacro(HelixWidth, float);
57  vtkSetMacro(HelixWidth, float);
59 
61 
64  vtkGetMacro(SubdivideFactor, int);
65  vtkSetMacro(SubdivideFactor, int);
67 
69 
72  vtkGetMacro(DrawSmallMoleculesAsSpheres, bool);
73  vtkSetMacro(DrawSmallMoleculesAsSpheres, bool);
75 
77 
80  vtkGetMacro(SphereResolution, int);
81  vtkSetMacro(SphereResolution, int);
83 
84 protected:
87 
89 
91 
93  std::vector<std::pair<vtkVector3f, bool>>& p1, std::vector<std::pair<vtkVector3f, bool>>& p2,
94  std::vector<vtkColor3ub>& colors);
95 
96  void CreateAtomAsSphere(vtkPolyData* poly, vtkUnsignedCharArray* pointsColors, double* pos,
97  const vtkColor3ub& color, float radius, float scale);
98 
99  static std::vector<vtkVector3f>* Subdivide(std::vector<std::pair<vtkVector3f, bool>>& p, int div);
100 
101  void SetColorByAtom(std::vector<vtkColor3ub>& colors, vtkStringArray* atomTypes);
102 
103  void SetColorByStructure(std::vector<vtkColor3ub>& colors, vtkStringArray* atomTypes,
104  vtkUnsignedCharArray* ss, const vtkColor3ub& helixColor, const vtkColor3ub& sheetColor);
105 
106  std::map<std::string, vtkColor3ub> ElementColors;
107 
108  float CoilWidth;
109  float HelixWidth;
113 
114 private:
116  void operator=(const vtkProteinRibbonFilter&) = delete;
117 };
118 
119 #endif // vtkProteinRibbonFilter_h
Some derived classes for the different colors commonly used.
Definition: vtkColor.h:195
a simple class to control print indentation
Definition: vtkIndent.h:34
Store zero or more vtkInformation instances.
Store vtkAlgorithm input/output information.
represent and manipulate 3D points
Definition: vtkPoints.h:34
Superclass for algorithms that produce only polydata as output.
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:86
generates protein ribbons
~vtkProteinRibbonFilter() override
static vtkProteinRibbonFilter * New()
void SetColorByStructure(std::vector< vtkColor3ub > &colors, vtkStringArray *atomTypes, vtkUnsignedCharArray *ss, const vtkColor3ub &helixColor, const vtkColor3ub &sheetColor)
void SetColorByAtom(std::vector< vtkColor3ub > &colors, vtkStringArray *atomTypes)
static std::vector< vtkVector3f > * Subdivide(std::vector< std::pair< vtkVector3f, bool >> &p, int div)
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
std::map< std::string, vtkColor3ub > ElementColors
int FillInputPortInformation(int, vtkInformation *) override
Fill the input port information objects for this algorithm.
void CreateThinStrip(vtkPolyData *poly, vtkUnsignedCharArray *pointsColors, vtkPoints *p, std::vector< std::pair< vtkVector3f, bool >> &p1, std::vector< std::pair< vtkVector3f, bool >> &p2, std::vector< vtkColor3ub > &colors)
int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *) override
This is called by the superclass.
void CreateAtomAsSphere(vtkPolyData *poly, vtkUnsignedCharArray *pointsColors, double *pos, const vtkColor3ub &color, float radius, float scale)
a vtkAbstractArray subclass for strings
dynamic, self-adjusting array of unsigned char
@ vector
Definition: vtkX3D.h:243
@ scale
Definition: vtkX3D.h:235
@ color
Definition: vtkX3D.h:227
@ radius
Definition: vtkX3D.h:258